3-benzyl-1-hydroxycyclopentane-1-carbonitrile

C13H15NO — CID 14649697

IUPAC3-benzyl-1-hydroxycyclopentane-1-carbonitrile
SMILESN#CC1(O)CCC(Cc2ccccc2)C1
InChIInChI=1S/C13H15NO/c14-10-13(15)7-6-12(9-13)8-11-4-2-1-3-5-11/h1-5,12,15H,6-9H2
InChIKeyIOPQQZFZUPSTQQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.28
Rot. Bonds2

About 3-benzyl-1-hydroxycyclopentane-1-carbonitrile

3-benzyl-1-hydroxycyclopentane-1-carbonitrile (PubChem CID 14649697) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-benzyl-1-hydroxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-benzyl-1-hydroxycyclopentane-1-carbonitrile
PubChem CID14649697
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-benzyl-1-hydroxycyclopentane-1-carbonitrile
SMILESN#CC1(O)CCC(Cc2ccccc2)C1
InChIInChI=1S/C13H15NO/c14-10-13(15)7-6-12(9-13)8-11-4-2-1-3-5-11/h1-5,12,15H,6-9H2
InChIKeyIOPQQZFZUPSTQQ-UHFFFAOYSA-N
XLogP2.28
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-methylcyclopentane-1-carbonitrile
CID 142227869
2-[(3S)-3-benzyl-1-hydroxycyclopentyl]acetaldehyde;carbon dioxide
CID 160668693
2-[(1S)-1-(aminomethyl)-3-benzylcyclopentyl]acetic acid
CID 69439293
1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile
CID 142227675
(2R,4aR,10aS)-4a-benzyl-2,7-dihydroxy-1,3,4,9,10,10a-hexahydrophenanthrene-2-carbonitrile
CID 87504750
1-(1-hydroxy-2-phenylethyl)-4-propylcyclohexane-1-carbonitrile
CID 79131701
cyclopropylmethylbenzene;ethane;methane
CID 142248267
1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 154840849
[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol
CID 99825740
1-(aminomethyl)-4-benzyl-N,N-dimethylcyclohexan-1-amine
CID 20527639
3-benzylazetidine;hydrochloride
CID 54592835
6-benzylspiro[3.3]heptan-2-amine
CID 164574209

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-hydroxycyclopentane-1-carbonitrile?
The IUPAC name of 3-benzyl-1-hydroxycyclopentane-1-carbonitrile (CID 14649697) is 3-benzyl-1-hydroxycyclopentane-1-carbonitrile.
What is the SMILES notation for 3-benzyl-1-hydroxycyclopentane-1-carbonitrile?
The canonical SMILES for 3-benzyl-1-hydroxycyclopentane-1-carbonitrile is N#CC1(O)CCC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-hydroxycyclopentane-1-carbonitrile?
The InChIKey is IOPQQZFZUPSTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c14-10-13(15)7-6-12(9-13)8-11-4-2-1-3-5-11/h1-5,12,15H,6-9H2.
What are the key properties of 3-benzyl-1-hydroxycyclopentane-1-carbonitrile?
3-benzyl-1-hydroxycyclopentane-1-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-hydroxycyclopentane-1-carbonitrile is sourced from PubChem (CID 14649697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).